3-[8-[2-[cyclobutylmethyl-[(2S)-2,3-dihydroxypropanoyl]amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide

C24H35N3O4 — CID 67184025

IUPAC3-[8-[2-[cyclobutylmethyl-[(2S)-2,3-dihydroxypropanoyl]amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide
SMILESNC(=O)c1cccc(C2CC3CCC(C2)N3CCN(CC2CCC2)C(=O)[C@@H](O)CO)c1
InChIInChI=1S/C24H35N3O4/c25-23(30)18-6-2-5-17(11-18)19-12-20-7-8-21(13-19)27(20)10-9-26(14-16-3-1-4-16)24(31)22(29)15-28/h2,5-6,11,16,19-22,28-29H,1,3-4,7-10,12-15H2,(H2,25,30)/t19?,20?,21?,22-/m0/s1
InChIKeyGATXKKLWGGRITB-YTZNMQJJSA-N
MW429.56 g/mol
LogP1.48
Rot. Bonds9

About 3-[8-[2-[cyclobutylmethyl-[(2S)-2,3-dihydroxypropanoyl]amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide

3-[8-[2-[cyclobutylmethyl-[(2S)-2,3-dihydroxypropanoyl]amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide (PubChem CID 67184025) has the molecular formula C24H35N3O4 and a molecular weight of 429.56 g/mol. Its IUPAC name is 3-[8-[2-[cyclobutylmethyl-[(2S)-2,3-dihydroxypropanoyl]amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide.

Molecular Properties

Compound Name3-[8-[2-[cyclobutylmethyl-[(2S)-2,3-dihydroxypropanoyl]amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide
PubChem CID67184025
Molecular FormulaC24H35N3O4
Molecular Weight429.56 g/mol
Exact Mass429.26
IUPAC Name3-[8-[2-[cyclobutylmethyl-[(2S)-2,3-dihydroxypropanoyl]amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide
SMILESNC(=O)c1cccc(C2CC3CCC(C2)N3CCN(CC2CCC2)C(=O)[C@@H](O)CO)c1
InChIInChI=1S/C24H35N3O4/c25-23(30)18-6-2-5-17(11-18)19-12-20-7-8-21(13-19)27(20)10-9-26(14-16-3-1-4-16)24(31)22(29)15-28/h2,5-6,11,16,19-22,28-29H,1,3-4,7-10,12-15H2,(H2,25,30)/t19?,20?,21?,22-/m0/s1
InChIKeyGATXKKLWGGRITB-YTZNMQJJSA-N
XLogP1.48
TPSA107.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.56
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[8-[2-[cyclobutylmethyl-[(2S)-2,3-dihydroxypropanoyl]amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[8-[2-[cyclobutylmethyl-[(2S)-2,3-dihydroxypropanoyl]amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide?
The IUPAC name of 3-[8-[2-[cyclobutylmethyl-[(2S)-2,3-dihydroxypropanoyl]amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide (CID 67184025) is 3-[8-[2-[cyclobutylmethyl-[(2S)-2,3-dihydroxypropanoyl]amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide.
What is the SMILES notation for 3-[8-[2-[cyclobutylmethyl-[(2S)-2,3-dihydroxypropanoyl]amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide?
The canonical SMILES for 3-[8-[2-[cyclobutylmethyl-[(2S)-2,3-dihydroxypropanoyl]amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide is NC(=O)c1cccc(C2CC3CCC(C2)N3CCN(CC2CCC2)C(=O)[C@@H](O)CO)c1.
What is the InChIKey of 3-[8-[2-[cyclobutylmethyl-[(2S)-2,3-dihydroxypropanoyl]amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide?
The InChIKey is GATXKKLWGGRITB-YTZNMQJJSA-N. The full InChI is InChI=1S/C24H35N3O4/c25-23(30)18-6-2-5-17(11-18)19-12-20-7-8-21(13-19)27(20)10-9-26(14-16-3-1-4-16)24(31)22(29)15-28/h2,5-6,11,16,19-22,28-29H,1,3-4,7-10,12-15H2,(H2,25,30)/t19?,20?,21?,22-/m0/s1.
What are the key properties of 3-[8-[2-[cyclobutylmethyl-[(2S)-2,3-dihydroxypropanoyl]amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide?
3-[8-[2-[cyclobutylmethyl-[(2S)-2,3-dihydroxypropanoyl]amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide has a molecular weight of 429.56 g/mol, XLogP of 1.48, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-[2-[cyclobutylmethyl-[(2S)-2,3-dihydroxypropanoyl]amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide is sourced from PubChem (CID 67184025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).